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Current developments in Coot for macromolecular model building of Electron Cryo-microscopy and Crystallographic Data.
Protein Science ( IF 8 ) Pub Date : 2020-03-02 , DOI: 10.1002/pro.3791
Ana Casañal 1 , Bernhard Lohkamp 2 , Paul Emsley 1
Affiliation  

Coot is a tool widely used for model building, refinement, and validation of macromolecular structures. It has been extensively used for crystallography and, more recently, improvements have been introduced to aid in cryo-EM model building and refinement, as cryo-EM structures with resolution ranging 2.5-4 A are now routinely available. Model building into these maps can be time-consuming and requires experience in both biochemistry and building into low-resolution maps. To simplify and expedite the model building task, and minimize the needed expertise, new tools are being added in Coot. Some examples include morphing, Geman-McClure restraints, full-chain refinement, and Fourier-model based residue-type-specific Ramachandran restraints. Here, we present the current state-of-the-art in Coot usage.

中文翻译:

Coot用于电子低温显微镜和晶体学数据的大分子模型构建的最新进展。

Coot是一种广泛用于模型构建,完善和验证大分子结构的工具。它已被广泛用于晶体学,最近,由于分辨率常规为2.5-4 A的冷冻-EM结构,已进行了改进以帮助冷冻-EM模型的建立和完善。在这些地图中建立模型可能很耗时,并且需要生物化学和低分辨率地图中的经验。为了简化和加快模型构建任务并最大程度地减少所需的专业知识,Coot中添加了新工具。一些示例包括变形,Geman-McClure约束,全链细化和基于傅立叶模型的残基类型特异性Ramachandran约束。在这里,我们介绍了最新的老傻瓜用法。
更新日期:2020-04-22
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